SCHEMBL3975987

SCHEMBL3975987

Clc1ccc2c(NCCc3ccccn3)nc(NCCCN3CCOCC3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
MAPK1 P28482 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
FLT3 P36888 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
CTNNB1 P35222 1/20 0.46
TCF7L2 Q9NQB0 1/20 0.46
KDM1A O60341 1/20 0.46
EHMT2 Q96KQ7 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3972860 0.80 CTNNB1 (0.56) KMT2ACTNNB1TCF7L2KDM4EALDH1A1
SCHEMBL3981553 0.78 MAPK1 (0.81) MAPTMAPK1NPSR1SMN1; SMN2TSHR
SCHEMBL3974887 0.77 MAPK1 (0.82) MAPTMAPK1NPSR1SMN1; SMN2TSHR
SCHEMBL3535873 0.76 FLT3 (0.74) MAPTMAPK1NPSR1SMN1; SMN2TSHR
SCHEMBL3535877 0.76 FLT3 (0.74) MAPTMAPK1NPSR1SMN1; SMN2TSHR
SCHEMBL23723451 0.73 HRH4 (0.50) TSHRALOX15FLT3LMNAHTT
SCHEMBL30621754 0.73 HRH4 (0.50) TSHRALOX15FLT3LMNAHTT
SCHEMBL4237965 0.71 GBA1 (0.62) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL17890162 0.71 FLT3 (0.86) MAPTMAPK1NPSR1SMN1; SMN2TSHR
SCHEMBL17890164 0.71 FLT3 (0.86) MAPTMAPK1NPSR1SMN1; SMN2TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 US disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 MAPT 4410/4885MAPK1 3502/4885NPSR1 135/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.